Information card for entry 4023948

Structure parameters

• Formula: C22 H19 N O6
• Calculated formula: C22 H19 N O6
• SMILES: O=C(O)c1cc(C(=O)O)cc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)c1
• Title of publication: Synthesis and Oxidation of Triarylamine Derivatives Bearing Hydrogen-Bonding Groups
• Authors of publication: Hidenori Murata; Paul M. Lahti
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 4974 - 4977
• a: 6.74 ± 0.0005 Å
• b: 8.9687 ± 0.0007 Å
• c: 16.8973 ± 0.0011 Å
• α: 90.839 ± 0.004°
• β: 82.749 ± 0.004°
• γ: 86.109 ± 0.004°
• Cell volume: 1010.7 ± 1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1109
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1851
• Weighted residual factors for all reflections included in the refinement: 0.2226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No